(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone

C17H17ClO3 — CID 106860799

IUPAC(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(C)cc2Cl)cc1OC
InChIInChI=1S/C17H17ClO3/c1-10-5-6-12(14(18)7-10)17(19)13-9-16(21-4)15(20-3)8-11(13)2/h5-9H,1-4H3
InChIKeyHRCCOAZKPDRWGV-UHFFFAOYSA-N
MW304.77 g/mol
LogP4.21
Rot. Bonds4

About (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone

(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone (PubChem CID 106860799) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
PubChem CID106860799
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
SMILESCOc1cc(C)c(C(=O)c2ccc(C)cc2Cl)cc1OC
InChIInChI=1S/C17H17ClO3/c1-10-5-6-12(14(18)7-10)17(19)13-9-16(21-4)15(20-3)8-11(13)2/h5-9H,1-4H3
InChIKeyHRCCOAZKPDRWGV-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 106864991
(5-bromo-2-chlorophenyl)-(4,5-dimethoxy-2-methylphenyl)methanone
CID 43626582
(3-chloro-2,4-dimethoxyphenyl)-(2-chloro-4-methylphenyl)methanone
CID 106860870
(4-bromo-2-chlorophenyl)-(2-bromo-4,5-dimethoxyphenyl)methanone
CID 43805084
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
(4-bromo-2-chlorophenyl)-(2,5-dimethylphenyl)methanone
CID 43805047
(4-chloro-3-methoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 115781783
(5-chloro-2-methoxyphenyl)-(2,4-dichlorophenyl)methanone
CID 63492522
(4-bromo-2-methoxyphenyl)-(4-chloro-2,5-dimethylphenyl)methanone
CID 115368800
(2-chloro-4,5-dimethoxyphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81481073
(4-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanone
CID 43805125
(2-chloro-4-fluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43159718

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The IUPAC name of (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone (CID 106860799) is (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone.
What is the SMILES notation for (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The canonical SMILES for (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone is COc1cc(C)c(C(=O)c2ccc(C)cc2Cl)cc1OC.
What is the InChIKey of (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
The InChIKey is HRCCOAZKPDRWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-10-5-6-12(14(18)7-10)17(19)13-9-16(21-4)15(20-3)8-11(13)2/h5-9H,1-4H3.
What are the key properties of (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone?
(2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone has a molecular weight of 304.77 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylphenyl)-(4,5-dimethoxy-2-methylphenyl)methanone is sourced from PubChem (CID 106860799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).